N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide

C31H39N3O6 — CID 110194268

IUPACN-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(NC(C)=O)cc2)Cc2ccc(OC)c(OCC(C)C)c2)cc1OC
InChIInChI=1S/C31H39N3O6/c1-21(2)20-40-30-16-24(8-14-28(30)38-5)18-34(17-23-7-13-27(37-4)29(15-23)39-6)19-31(36)33-26-11-9-25(10-12-26)32-22(3)35/h7-16,21H,17-20H2,1-6H3,(H,32,35)(H,33,36)
InChIKeyALPQSYDQGJDTAE-UHFFFAOYSA-N
MW549.67 g/mol
LogP5.35
Rot. Bonds14

About N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide

N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide (PubChem CID 110194268) has the molecular formula C31H39N3O6 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide
PubChem CID110194268
Molecular FormulaC31H39N3O6
Molecular Weight549.67 g/mol
Exact Mass549.28
IUPAC NameN-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(NC(C)=O)cc2)Cc2ccc(OC)c(OCC(C)C)c2)cc1OC
InChIInChI=1S/C31H39N3O6/c1-21(2)20-40-30-16-24(8-14-28(30)38-5)18-34(17-23-7-13-27(37-4)29(15-23)39-6)19-31(36)33-26-11-9-25(10-12-26)32-22(3)35/h7-16,21H,17-20H2,1-6H3,(H,32,35)(H,33,36)
InChIKeyALPQSYDQGJDTAE-UHFFFAOYSA-N
XLogP5.35
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride
CID 110194274
2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349258
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide (CID 110194268) is N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide is COc1ccc(CN(CC(=O)Nc2ccc(NC(C)=O)cc2)Cc2ccc(OC)c(OCC(C)C)c2)cc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide?
The InChIKey is ALPQSYDQGJDTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O6/c1-21(2)20-40-30-16-24(8-14-28(30)38-5)18-34(17-23-7-13-27(37-4)29(15-23)39-6)19-31(36)33-26-11-9-25(10-12-26)32-22(3)35/h7-16,21H,17-20H2,1-6H3,(H,32,35)(H,33,36).
What are the key properties of N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide has a molecular weight of 549.67 g/mol, XLogP of 5.35, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 110194268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).